ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate

C18H13F3N2O3 — CID 172561000

IUPACethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)c(C(F)(F)F)c(=O)n2c1
InChIInChI=1S/C18H13F3N2O3/c1-2-26-17(25)12-8-9-13-22-15(11-6-4-3-5-7-11)14(18(19,20)21)16(24)23(13)10-12/h3-10H,2H2,1H3
InChIKeyGHRLYRUOIXASQF-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.56
Rot. Bonds3

About ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate

ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate (PubChem CID 172561000) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate
PubChem CID172561000
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Nameethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)c(C(F)(F)F)c(=O)n2c1
InChIInChI=1S/C18H13F3N2O3/c1-2-26-17(25)12-8-9-13-22-15(11-6-4-3-5-7-11)14(18(19,20)21)16(24)23(13)10-12/h3-10H,2H2,1H3
InChIKeyGHRLYRUOIXASQF-UHFFFAOYSA-N
XLogP3.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 137355302
ethyl 2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylate
CID 12953045
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743338
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
ethyl 2-(6-amino-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 10541904
ethyl 6-methoxy-2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743340
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
ethyl 6,8-dimethyl-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate
CID 137355753

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate (CID 172561000) is ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate is CCOC(=O)c1ccc2nc(-c3ccccc3)c(C(F)(F)F)c(=O)n2c1.
What is the InChIKey of ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is GHRLYRUOIXASQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c1-2-26-17(25)12-8-9-13-22-15(11-6-4-3-5-7-11)14(18(19,20)21)16(24)23(13)10-12/h3-10H,2H2,1H3.
What are the key properties of ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate?
ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 362.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 172561000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).